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LeMat-Bulk
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---
dataset_info:
- config_name: compatible_pbe
  features:
  - name: elements
    sequence: string
  - name: nsites
    dtype: int32
  - name: chemical_formula_anonymous
    dtype: string
  - name: chemical_formula_reduced
    dtype: string
  - name: chemical_formula_descriptive
    dtype: string
  - name: nelements
    dtype: int8
  - name: dimension_types
    sequence: int8
  - name: nperiodic_dimensions
    dtype: int8
  - name: lattice_vectors
    sequence:
      sequence: float64
  - name: immutable_id
    dtype: string
  - name: cartesian_site_positions
    sequence:
      sequence: float64
  - name: species
    dtype: string
  - name: species_at_sites
    sequence: string
  - name: last_modified
    dtype: string
  - name: elements_ratios
    sequence: float64
  - name: stress_tensor
    sequence:
      sequence: float64
  - name: energy
    dtype: float64
  - name: magnetic_moments
    sequence: float64
  - name: forces
    sequence:
      sequence: float64
  - name: total_magnetization
    dtype: float64
  - name: dos_ef
    dtype: float64
  - name: functional
    dtype: string
  - name: cross_compatibility
    dtype: bool
  - name: entalpic_fingerprint
    dtype: string
  splits:
  - name: train
    num_bytes: 8043765194
    num_examples: 5335299
  download_size: 3036919717
  dataset_size: 8043765194
- config_name: compatible_pbesol
  features:
  - name: elements
    sequence: string
  - name: nsites
    dtype: int32
  - name: chemical_formula_anonymous
    dtype: string
  - name: chemical_formula_reduced
    dtype: string
  - name: chemical_formula_descriptive
    dtype: string
  - name: nelements
    dtype: int8
  - name: dimension_types
    sequence: int8
  - name: nperiodic_dimensions
    dtype: int8
  - name: lattice_vectors
    sequence:
      sequence: float64
  - name: immutable_id
    dtype: string
  - name: cartesian_site_positions
    sequence:
      sequence: float64
  - name: species
    dtype: string
  - name: species_at_sites
    sequence: string
  - name: last_modified
    dtype: string
  - name: elements_ratios
    sequence: float64
  - name: stress_tensor
    sequence:
      sequence: float64
  - name: energy
    dtype: float64
  - name: magnetic_moments
    sequence: float64
  - name: forces
    sequence:
      sequence: float64
  - name: total_magnetization
    dtype: float64
  - name: dos_ef
    dtype: float64
  - name: functional
    dtype: string
  - name: cross_compatibility
    dtype: bool
  - name: entalpic_fingerprint
    dtype: string
  splits:
  - name: train
    num_bytes: 646300349
    num_examples: 447824
  download_size: 230878194
  dataset_size: 646300349
- config_name: compatible_scan
  features:
  - name: elements
    sequence: string
  - name: nsites
    dtype: int32
  - name: chemical_formula_anonymous
    dtype: string
  - name: chemical_formula_reduced
    dtype: string
  - name: chemical_formula_descriptive
    dtype: string
  - name: nelements
    dtype: int8
  - name: dimension_types
    sequence: int8
  - name: nperiodic_dimensions
    dtype: int8
  - name: lattice_vectors
    sequence:
      sequence: float64
  - name: immutable_id
    dtype: string
  - name: cartesian_site_positions
    sequence:
      sequence: float64
  - name: species
    dtype: string
  - name: species_at_sites
    sequence: string
  - name: last_modified
    dtype: string
  - name: elements_ratios
    sequence: float64
  - name: stress_tensor
    sequence:
      sequence: float64
  - name: energy
    dtype: float64
  - name: magnetic_moments
    sequence: float64
  - name: forces
    sequence:
      sequence: float64
  - name: total_magnetization
    dtype: float64
  - name: dos_ef
    dtype: float64
  - name: functional
    dtype: string
  - name: cross_compatibility
    dtype: bool
  - name: entalpic_fingerprint
    dtype: string
  splits:
  - name: train
    num_bytes: 597846818
    num_examples: 422840
  download_size: 207887396
  dataset_size: 597846818
- config_name: non_compatible
  features:
  - name: elements
    sequence: string
  - name: nsites
    dtype: int32
  - name: chemical_formula_anonymous
    dtype: string
  - name: chemical_formula_reduced
    dtype: string
  - name: chemical_formula_descriptive
    dtype: string
  - name: nelements
    dtype: int8
  - name: dimension_types
    sequence: int8
  - name: nperiodic_dimensions
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  - name: lattice_vectors
    sequence:
      sequence: float64
  - name: immutable_id
    dtype: string
  - name: cartesian_site_positions
    sequence:
      sequence: float64
  - name: species
    dtype: string
  - name: species_at_sites
    sequence: string
  - name: last_modified
    dtype: string
  - name: elements_ratios
    sequence: float64
  - name: stress_tensor
    sequence:
      sequence: float64
  - name: energy
    dtype: float64
  - name: magnetic_moments
    sequence: float64
  - name: forces
    sequence:
      sequence: float64
  - name: total_magnetization
    dtype: float64
  - name: dos_ef
    dtype: float64
  - name: functional
    dtype: string
  - name: cross_compatibility
    dtype: bool
  - name: entalpic_fingerprint
    dtype: string
  splits:
  - name: train
    num_bytes: 818845899
    num_examples: 519627
  download_size: 268949608
  dataset_size: 818845899
configs:
- config_name: compatible_pbe
  data_files:
  - split: train
    path: compatible_pbe/train-*
- config_name: compatible_pbesol
  data_files:
  - split: train
    path: compatible_pbesol/train-*
- config_name: compatible_scan
  data_files:
  - split: train
    path: compatible_scan/train-*
- config_name: non_compatible
  data_files:
  - split: train
    path: non_compatible/train-*
---